[(3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazol-7a-yl]-phenyl-methanone

Systemtic Name: [(3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazol-7a-yl]-phenyl-methanone Openeye Name: [(3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazol-7a-yl]-phenyl-methanone CAS Name: [(3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazol-7a-yl]-phenylmethanone IUPAC Name: [(3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazol-7a-yl]-phenylmethanone Traditional Name: [(3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydroindoxazen-7a-yl]-phenyl-methanone Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2(C(C1)(C(=NO2)C3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C[C@@]2([C@](C1)(C(=NO2)C3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N2O4/c1-15-13-21(24(26)27)19(17-9-5-3-6-10-17)23-28-22(21,14-16(15)2)20(25)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/t21-,22-/m0/s1